Geometry & MOs

Info

ID:	402241
PubChem CID:	135055145
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-132.5
Dipole, Da:	3.92
IP(EA), eV:	-9.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-phenyl-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)C[C@]3(CN(S(=O)(=O)N3C2)C(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations